propan-2-yl 3-(4-methylphenyl)-3-(5-methylpyridin-2-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-(5-methylpyridin-2-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: isopropyl 3-(5-methyl-2-pyridyl)-1-oxo-3-(p-tolyl)isobenzofuran-5-carboxylate CAS Name: 3-(4-methylphenyl)-3-(5-methyl-2-pyridinyl)-1-oxo-5-isobenzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylphenyl)-3-(5-methylpyridin-2-yl)-1-oxo-2-benzofuran-5-carboxylate Traditional Name: 1-keto-3-(5-methyl-2-pyridyl)-3-(p-tolyl)phthalan-5-carboxylic acid isopropyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)OC(C)C)C(=O)O2)C4=NC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)OC(C)C)C(=O)O2)C4=NC=C(C=C4)C

InChI

InChI=1S/C25H23NO4/c1-15(2)29-23(27)18-8-11-20-21(13-18)25(30-24(20)28,19-9-5-16(3)6-10-19)22-12-7-17(4)14-26-22/h5-15H,1-4H3